⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8090554 | 0.97 | TP53 (0.32) | — | |
| SCHEMBL13166777 | 0.84 | — | — | |
| SCHEMBL6000360 | 0.84 | — | — | |
| SCHEMBL21516561 | 0.78 | — | — | |
| SCHEMBL8986552 | 0.78 | — | — | |
| SCHEMBL8986556 | 0.78 | — | — | |
| SCHEMBL8986561 | 0.78 | — | — | |
| SCHEMBL6291351 | 0.74 | — | — | |
| SCHEMBL21242871 | 0.74 | — | — | |
| SCHEMBL9336407 | 0.74 | KDM4E (0.44) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295092-A1 | 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2023-09-21 | — | — | US | disclosed |
| US-20210053922-A1 | 18F - TAGGED INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) AND THEIR USE AS IMAGING AGENTS FOR PROSTATE CANCER | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 2021-02-25 | — | — | US | disclosed |
| EP-2231587-A1 | PROCESS FOR THE PREPARATION OF BETAINES | Lonza Ltd (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009062731-A1 | PROCESS FOR THE PREPARATION OF BETAINES | LONZA LTD (CH) | 2009-05-22 | — | — | WO | disclosed |
| WO-2005112914-A2 | PHENOLIC ANTIOXIDANTS FOR THE TREATMENT OF DISORDERS INCLUDING ARTHRITIS, ASTHMA AND CORONARY ARTERY DISEASE | ATHEROGENICS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |